Basic information
- CAS
126947-75-9- Standard SMILES
CCc1nc(C)cc(NOC23CC4CC(CC(C4)C2)C3)c1OC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
KNRMPXXTRXHENV-UHFFFAOYSA-N- Molecular formula
- C28H41ClN2O2
- Average molar mass
- 473.1 g/mol
- Monoisotopic mass
- 472.2856562
Names & identifiers
- Preferred name
- 4-Pyridinamine, N,3-bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)-2-ethyl-6-methyl-monohydrochloride
- IUPAC
- N,3-bis(1-adamantyloxy)-2-ethyl-6-methylpyridin-4-amine;hydrochloride
Names & synonyms
4-Pyridinamine, N,3-bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)-2-ethyl-6-methyl-monohydrochloride126947-75-9DTXSID501553524-Adamantoylamino-3-adamantoyloxy-6-methyl-2-ethylpyridine hydrochloride4-Pyridinamine, 2-ethyl-6-methyl-N,3-bis(tricyclo(3.3.1.1.3,7)dec-1-yloxy)-, monohydrochlorideRefChem:296005DTXCID6077843N,3-Bis[(adamantan-1-yl)oxy]-2-ethyl-6-methylpyridin-4-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
126947-75-9- PubChem CID
- 64612
- DTXSID
DTXSID50155352
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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